N-(2-aminocyclohexyl)-N-(2-oxopropyl)propanamide

C12H22N2O2 — CID 23592985

IUPACN-(2-aminocyclohexyl)-N-(2-oxopropyl)propanamide
SMILESCCC(=O)N(CC(C)=O)C1CCCCC1N
InChIInChI=1S/C12H22N2O2/c1-3-12(16)14(8-9(2)15)11-7-5-4-6-10(11)13/h10-11H,3-8,13H2,1-2H3
InChIKeyLYQBZCQZQUIJEQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.08
Rot. Bonds4

About N-(2-aminocyclohexyl)-N-(2-oxopropyl)propanamide

N-(2-aminocyclohexyl)-N-(2-oxopropyl)propanamide (PubChem CID 23592985) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-N-(2-oxopropyl)propanamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-N-(2-oxopropyl)propanamide
PubChem CID23592985
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-aminocyclohexyl)-N-(2-oxopropyl)propanamide
SMILESCCC(=O)N(CC(C)=O)C1CCCCC1N
InChIInChI=1S/C12H22N2O2/c1-3-12(16)14(8-9(2)15)11-7-5-4-6-10(11)13/h10-11H,3-8,13H2,1-2H3
InChIKeyLYQBZCQZQUIJEQ-UHFFFAOYSA-N
XLogP1.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-N-(2-oxopropyl)propanamide?
The IUPAC name of N-(2-aminocyclohexyl)-N-(2-oxopropyl)propanamide (CID 23592985) is N-(2-aminocyclohexyl)-N-(2-oxopropyl)propanamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-N-(2-oxopropyl)propanamide?
The canonical SMILES for N-(2-aminocyclohexyl)-N-(2-oxopropyl)propanamide is CCC(=O)N(CC(C)=O)C1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)-N-(2-oxopropyl)propanamide?
The InChIKey is LYQBZCQZQUIJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-12(16)14(8-9(2)15)11-7-5-4-6-10(11)13/h10-11H,3-8,13H2,1-2H3.
What are the key properties of N-(2-aminocyclohexyl)-N-(2-oxopropyl)propanamide?
N-(2-aminocyclohexyl)-N-(2-oxopropyl)propanamide has a molecular weight of 226.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-N-(2-oxopropyl)propanamide is sourced from PubChem (CID 23592985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).